Basic information
- CAS
327079-06-1- Standard SMILES
O=S1(=O)CC2SC(=S)N(Cc3ccccc3)C2C1- InChIKey
INJKOAVJNCZLQI-UHFFFAOYSA-N- Molecular formula
- C12H13NO2S3
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.01084218
Names & identifiers
- Preferred name
- 3-benzyltetrahydrothieno[3,4-d]thiazole-2(3H)-thione 5,5-dioxide
- IUPAC
- 3-benzyl-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazole-2-thione
- English name
- 3-benzyltetrahydrothieno[3,4-d]thiazole-2(3H)-thione 5,5-dioxide
- Molecular formula
- C12H13NO2S3
- Molecular weight
- 299.43
Names & synonyms
327079-06-13-benzyltetrahydrothieno[3,4-d]thiazole-2(3H)-thione 5,5-dioxide3-benzyl-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazole-2-thioneF1068-07423-benzyl-2-sulfanylidene-hexahydro-5lambda6-thieno[3,4-d][1,3]thiazole-5,5-dione4-benzyl-5-thioxo-1,3,4,6,3a,6a-hexahydro-2,6-dithia-4-azapentalene-2,2-dioneMLS000332249IFLab1_004758CHEMBL1604072DTXSID601333080HMS1425I06HMS2802I18
Show more names
3-benzyltetrahydrothieno[3,4-d][1,3]thiazole-2(3H)-thione 5,5-dioxideThieno[3,4-d]thiazole-2(3H)-thione, tetrahydro-3-(phenylmethyl)-, 5,5-dioxide
SMSSF-0063104CCG-21604SBB041427STL338094AKOS000270050AKOS016039586IDI1_010513SMR000434920
Database identifiers
- CAS
327079-06-1
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 437
Experimental & physicochemical properties
Solubility1.8 [ug/mL] (The mean of the results at pH 7.4)
Chemistry & industry
Suppliers1 total
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…